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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
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Isotopically Labeled
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Found 34 results

Search term: C27H28O14 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65260033

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H28O14/c1-8-20(34)22(36)26(41-27-23(37)21(35)19(33)9(2)39-27)25(38-8)18-14(31)6-13(30)17-15(32)7-16(40-24(17)18)10-3-4-11(28)12(29)5-10/h3-9,19-21,23,25-31,33-35,37H,1-2H3/t8-,9+,19+,20-,21-,23-,25+,26-,27+/m1/s1
C27H28O14576.50287600
98645373

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)/t19-,23-,24+,25-,26-,27?/m1/s1
C27H28O14576.50287700
9379028

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H28O14/c1-36-16-7-11(3-4-15(16)29)19(30)13-8-27(41-24(13)35)6-5-12-14(23(34)37-2)10-38-25(18(12)27)40-26-22(33)21(32)20(31)17(9-28)39-26/h3-8,10,12,17-18,20-22,25-26,28-29,31-33H,9H2,1-2H3/t12-,17-,18-,20-,21+,22-,25+,26+,27-/m1/s1
C27H28O14576.50285400
168627

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19,22-29,31-32,34-37H,1-2H3
C27H28O14576.502841700
34448464

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9-,19-,20-,22+,24+,25+,26-,27-/m0/s1
C27H28O14576.50284500
34448465

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19,22-29,31-32,34-37H,1-2H3/t8-,9+,19+,22-,23+,24-,25+,26-,27+/m0/s1
C27H28O14576.50284600
28605577
InChI=1/C27H28O14/c28-24(29)14-35-5-8-38-18-3-1-17(2-4-18)20-13-41-21-12-23(40-10-7-37-16-26(32)33)22(11-19(21)27(20)34)39-9-6-36-15-25(30)31/h1-4,11-13H,5-10,14-16H2,(H,28,29)(H,30,31)(H,32,33)
C27H28O14576.50283200
8501279

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)/t19-,23+,24+,25-,26-,27?/m1/s1
C27H28O14576.50283200
8778626

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H28O14/c1-11(28)36-10-21-25(37-12(2)29)23(35)26(38-13(3)30)27(41-21)40-19-7-5-15-17(32)9-20(39-24(15)22(19)34)14-4-6-16(31)18(33)8-14/h4-8,20-21,23,25-27,31,33-35H,9-10H2,1-3H3/t20?,21-,23+,25-,26-,27-/m1/s1
C27H28O14576.50283200
23339380

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H28O14/c1-12(28)37-11-21-25(38-13(2)29)26(39-14(3)30)24(36)27(41-21)40-20-9-6-16(22(34)23(20)35)17(31)7-4-15-5-8-18(32)19(33)10-15/h4-10,21,24-27,32-36H,11H2,1-3H3/b7-4+/t21-,24-,25-,26-,27-/m1/s1
C27H28O14576.50283300
24845922

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C27H28O14/c1-12(28)37-11-21-25(38-13(2)29)24(36)26(39-14(3)30)27(41-21)40-20-9-6-16(22(34)23(20)35)17(31)7-4-15-5-8-18(32)19(33)10-15/h4-10,21,24-27,32-36H,11H2,1-3H3/b7-4+/t21?,24-,25+,26?,27+/m0/s1
C27H28O14576.50282200
24845923

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C27H28O14/c1-12(28)37-11-21-25(38-13(2)29)26(39-14(3)30)24(36)27(41-21)40-20-9-6-16(22(34)23(20)35)17(31)7-4-15-5-8-18(32)19(33)10-15/h4-10,21,24-27,32-36H,11H2,1-3H3/b7-4+/t21?,24?,25-,26-,27-/m1/s1
C27H28O14576.50282200
25053721

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9+,19+,20-,22-,24-,25+,26-,27+/m1/s1
C27H28O14576.50282200
28605576
InChI=1/C27H28O14/c28-23(29)14-35-5-8-38-18-3-1-17(2-4-18)20-13-41-22-12-19(39-9-6-36-15-24(30)31)11-21(26(22)27(20)34)40-10-7-37-16-25(32)33/h1-4,11-13H,5-10,14-16H2,(H,28,29)(H,30,31)(H,32,33)
C27H28O14576.50282100
9050801

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H28O14/c1-36-16-7-11(3-4-15(16)29)19(30)13-8-27(41-24(13)35)6-5-12-14(23(34)37-2)10-38-25(18(12)27)40-26-22(33)21(32)20(31)17(9-28)39-26/h3-8,10,12,17-18,20-22,25-26,28-29,31-33H,9H2,1-2H3/t12-,17-,18-,20-,21+,22-,25+,26?,27-/m1/s1
C27H28O14576.50282100
4884762

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C27H28O14/c28-9-18-21(33)22(34)23(27(39-18)41-26-20(32)14-4-5-37-24(35)16(14)10-38-26)40-25(36)19-15(7-13(30)8-17(19)31)11-2-1-3-12(29)6-11/h1-3,6-8,10,14,18,20-23,26-34H,4-5,9H2/t14?,18-,20+,21-,22-,23-,26?,27+/m1/s1
C27H28O14576.50282200
4979584

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C27H28O14/c1-12(28)37-11-21-25(38-13(2)29)26(39-14(3)30)24(36)27(41-21)40-20-9-6-16(22(34)23(20)35)17(31)7-4-15-5-8-18(32)19(33)10-15/h4-10,21,24-27,32-36H,11H2,1-3H3/b7-4+/t21-,24-,25-,26-,27?/m0/s1
C27H28O14576.50282200
29397720

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H28O14/c28-15-6-8-17(14(10-15)11-39-26(36)27(37)19(30)9-7-16(29)23(27)34)40-25-22(33)21(32)20(31)18(41-25)12-38-24(35)13-4-2-1-3-5-13/h1-10,18-23,25,28,30-34,37H,11-12H2/t18-,19-,20-,21+,22-,23+,25-,27-/m1/s1
C27H28O14576.50282200
29398344

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H28O14/c28-11-18-20(32)21(33)22(41-24(35)13-4-2-1-3-5-13)25(40-18)39-17-8-6-15(29)10-14(17)12-38-26(36)27(37)19(31)9-7-16(30)23(27)34/h1-10,18-23,25,28-29,31-34,37H,11-12H2/t18-,19-,20-,21+,22-,23+,25-,27-/m1/s1
C27H28O14576.50282200
103885034

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C27H28O14/c1-27(38,8-18(32)33)9-19(34)39-10-17-22(35)23(36)24(37)26(41-17)21-14(30)6-13(29)20-15(31)7-16(40-25(20)21)11-2-4-12(28)5-3-11/h2-7,17,22-24,26,28-30,35-38H,8-10H2,1H3,(H,32,33)/t17-,22-,23+,24-,26+,27?/m1/s1
C27H28O14576.50282200
12

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